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Benzyl 3,5-bis(benzyloxy)-4-methyl-2-nitrobenzoate
SpectraBase Compound ID 58jHfifal2Q
InChI InChI=1S/C29H25NO6/c1-21-26(34-18-22-11-5-2-6-12-22)17-25(29(31)36-20-24-15-9-4-10-16-24)27(30(32)33)28(21)35-19-23-13-7-3-8-14-23/h2-17H,18-20H2,1H3
InChIKey BNMWDHQNFCUBQF-UHFFFAOYSA-N
Mol Weight 483.52 g/mol
Molecular Formula C29H25NO6
Exact Mass 483.168188 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CBHlUPaK1St
Name Benzyl 3,5-bis(benzyloxy)-4-methyl-2-nitrobenzoate
CAS Registry Number 76447-16-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H25NO6
InChI InChI=1S/C29H25NO6/c1-21-26(34-18-22-11-5-2-6-12-22)17-25(29(31)36-20-24-15-9-4-10-16-24)27(30(32)33)28(21)35-19-23-13-7-3-8-14-23/h2-17H,18-20H2,1H3
InChIKey BNMWDHQNFCUBQF-UHFFFAOYSA-N
Molecular Weight 483.520 g/mol
SMILES c1(c(cc(c(c1OCc1ccccc1)C)OCc1ccccc1)C(OCc1ccccc1)=O)N(=O)=O
SPLASH splash10-001i-0930100000-417c5ebe218d777490ea
Source of Spectrum J-46-1370-0
Wiley ID 1395862